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Principles of drug discovery :                            by kavya lakshmi.v                              (Pharmacology)           Under the guidance of :                              Dr T.Vedhavathi                                     Mpharm ;PhDCmr collage of pharmacy,[object Object]
Principles of drug discovery,[object Object]
Drug discoveryDef: The process of drug discovery involves the identification of  lead and its targets, synthesis, characterization, screening, and assays for therapeutic efficacy of lead. Once a compound  has shown its value in in these tests, it will begin the process of drug development prior to clinical trails.The  average  time  required  to bring a drug to the market range from  12–15 years at an average cost of $600–800 million,[object Object]
Stages in drug discovery,[object Object],                 Drug discovery ,[object Object],Formulation  ,[object Object],Preclinical studies,[object Object],Clinical trails,[object Object],Any drug development process must proceed through several stages,[object Object],in order to produce a product that is safe, efficacious, and has passed ,[object Object],all regulatory requirements.,[object Object]
Process of drug discovery,[object Object]
Drug development,[object Object],Target :Naturally existing  cellular or molecular structure  involved in the disease pathology on which the drug acts,[object Object],Targets                                                                                               ,[object Object],Types,[object Object],Target validation :Involves  demonstrating  that a molecular target ,[object Object],is  critically involved  in a disease process & modulation of the ,[object Object],target is likely to have a therapeutic effect,[object Object]
Screening & design,[object Object],Screening :Investigation of a great number of compounds for a particular problem or feature of them,[object Object],                                       Random,[object Object],Screening                Non-random,[object Object],                                       Cross   ,[object Object],Random involves no intellectualization & assays are done with out structural regards,[object Object],Non-random also known as targeted or focused & more narrow,[object Object],      approach. compounds having a vague resemblance to weakly,[object Object],      active compounds uncovered in a random screened,[object Object], Whether the "hits" against the chosen target will interfere with other related targets - this is the process of cross-screening,[object Object]
 Techniques in screening,[object Object],High through put screening :ideal technique which involves the molecule finding in such a way that hits only the chosen target even not the related,[object Object], It is often done for a molecule which already has some of the desired properties,[object Object],Virtual high through put screening : where screening is done using computer-generated models and attempting to "dock" virtual libraries to a target, are also often used.,[object Object],This is hit-lead phase is  followed  ,[object Object]
Approches ,[object Object],Nature of sources ,[object Object],Chemical sources,[object Object],Rational approches,[object Object],Molecular modelling ,[object Object],Combnitorial chemistry,[object Object],Biotechnology,[object Object],Bioinformatics ,[object Object],Preclinical studies,[object Object],Clinicaltrails,[object Object]
Nature of source,[object Object],[object Object]
Many cardiotonics are plant derived
 Microbes are the main source of antimicrobial drugs
 Streptomyces species have been a source of antibiotics.
 Marine environments are potential sources for new       bioactive agents.
Arabinose neucleosides discovered from marine invertebates,[object Object]
Methods,[object Object],There different types of combinatorial synthesis ,[object Object],[object Object]
 Split Synthesis: Peptide Libraries
 Encoding Combinatorial Libraries
 Nonpeptide LibrariesThe main differences among the various combinatorial approaches are the solid support used, the methods for assembling the building blocks, the state (immobilized or in solution) and numbers (a fraction of the total library or individual entities) ,[object Object]
Rational approches,[object Object],Hit -Lead:,[object Object]
Molecular modeling,[object Object],Structure Modifications to Increase Potency and the Therapeutic Index ,[object Object],1 Homologation ,[object Object],2 Chain Branching ,[object Object],3 Ring-Chain Transformations ,[object Object],4 Bioisosterism,[object Object],5 SAR by NMR/SAR by MS,[object Object],6 CADD,[object Object]
Homologation : prolongation of  saturated carbon chain with groups that differ by a constant unit to increase pharmacological effect & lipophilicity,[object Object],Chain branching :this involves the side branching of alkyl groups instead of long straight chain  alkyl groups,[object Object],Ring chain transformation :effective pharmacokinetic properties are obtained by transformation of alkyl substituent's into cyclic analogs,[object Object],Bioisosterism :Bioisosterism is an important lead modification approach that has been shown to be useful to attenuate toxicity or to modify the activity of a lead,[object Object]
SAR/NMR :This approach, termed SAR by NMR, was initially used to discover compounds with nanomolar affinitiess by tethering two molecules with micro molar affinities (low potency). ,[object Object],CADD :Computer-aided design (CAD), also known as computer-aided design and drafting (CADD) , is the use of computer technology for the process of design and design-documentation. Computer Aided Drafting describes the process of drafting with a computer,[object Object]
Technological Approach,[object Object],ssss,[object Object]
Preclinical studies,[object Object],Acute Studies :The goal is to determine toxic dose levels and observe clinical indications of toxicity. ,[object Object],Data from acute toxic studies helps determine doses for repeated dose studies in animals and Phase I studies in humans. ,[object Object],Repeated Dose Studies :These  are repeated dose studies may be referred to as sub acute, sub chronic, or chronic. The specific duration should anticipate the length of the clinical trial that will be conducted on the new drug. Again, two species are typically required. ,[object Object],Genetic Toxicity Studies :These studies assess the likelihood that the drug compound is mutagenic or carcinogenic. ,[object Object]
Reproductive Toxicity Studies : Segment I reproductive toxic studies look at the effects of the drug on fertility. Segment II and III studies detect effects on embryonic and post-natal development,[object Object],Carcinogenicity Studies :Carcinogenicity studies are usually needed only for drugs intended for chronic or recurring conditions,[object Object],Toxicokinetic Studies :These are typically similar in design to PK/ADME studies except that they use much higher dose levels. They examine the effects of toxic doses of the drug and help estimate the clinical margin of safety,[object Object]
Preclinical studies & Clinical trails,[object Object]
Clinical trails,[object Object]
Clinical trails,[object Object],Phase I:No blinding screening,open label & done in single           centre,[object Object]

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Principles of drug discovery

Notes de l'éditeur

  1. < 2% of new compounds investigated may show suitable biological activityModification of an existing drug can yield as little as 1% suitable compounds< 10% of these compounds result in successful human clinical trials and reaches the market place
  2. Health insurance portability n accountabilityProduct devolp n management associatnCentral drug stndrd controlorganisation